Results for:
PubChem ID: 62444

S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names	Methyl thiobutyrate 2432-51-1 S-Methyl butanethioate S-Methyl thiobutyrate BUTANETHIOIC ACID, S-METHYL ESTER s-Methyl thiobutanoate Methanethiol butyrate Methyl thiolbutyrate Butyric acid, thio-, S-methyl ester Methanethiol n-butyrate FEMA No. 3310 Methyl thiobutanoate Methane n-thiolbutyrate 2P1E432MYZ Thiobutyric Acid S-Methyl Ester Methyl thiobutyrate (natural) EINECS 219-407-1 UNII-2P1E432MYZ 1-(methylsulfanyl)butan-1-one S-Methyl butanethioate # S-Methyl thiobutanoate, 98% SCHEMBL722981 DTXSID5047669 CHEBI:89255 FEMA 3310 METHYL THIOBUTYRATE [FCC] METHYL THIOBUTYRATE [FHFI] Methyl thiobutyrate, >=97%, FG MFCD00009872 AKOS015950859 Methyl thiobutyrate, natural, 98%, FG LS-13066 DB-046399 CS-0323899 M1818 NS00021916 D91533 J-800454 Q-100312 Q27161441
Microorganism:	Yes
IUPAC name	S-methyl butanethioate
SMILES	CCCC(=O)SC
Inchi	InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
Formula	C5H10OS
PubChem ID	62444
Molweight	118.2
LogP	1.5
Atoms	7
Bonds	3
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	sulfur compounds thioesters
CHEBI-ID	89255
Supernatural-ID	SN0113415

mVOC Specific Details

Boiling Point	Degree Reference 142 median
MS-Links	MS-MS Spectrum 138249 MS-MS Spectrum 138251 MS-MS Spectrum 78002 MS-MS Spectrum 138250 MS-MS Spectrum 78000 MS-MS Spectrum 78001

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Streptomyces Griseus NA Riu et al. 2022 Prokaryota Clostridium Difficile outbreak 2006 UK Rees et al. 2016 Prokaryota Pseudomonas Syringae na phyllosphere of field-grown potato plants Hunziker et al. 2015 Prokaryota Alcaligenes Faecalis na na Su et al. 2016 Prokaryota Bacillus Cereus na na Su et al. 2016 Prokaryota Brevibacterium Epidermidis na na Su et al. 2016 Prokaryota Proteus Penneri na na Su et al. 2016 Prokaryota Proteus Vulgaris na na Su et al. 2016 Prokaryota Providencia Rettgeri na na Su et al. 2016 Prokaryota Pseudochrobactrum Asaccharolyticum na na Su et al. 2016 Prokaryota Thermomonospora Fusca na soil Wilkins 1996 Prokaryota Streptomyces Griseus na soil Wilkins 1996 Prokaryota Streptomyces Sp. na breathing zone of a waste collection worker Wilkins 1996 Prokaryota Brevibacterium Linens n/a NA Schulz and Dickschat 2007 Prokaryota Lactococcus Lactis n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Griseus n/a NA Schulz and Dickschat 2007 Prokaryota Thermomonospora Fusca n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Albidoflavus n/a NA Schulz and Dickschat 2007 Prokaryota Pseudochrobactrum Saccharolyticum Nematicidal activity cow dung XU et al. 2015 Prokaryota Proteus Hauseri Nematicidal activity cow dung XU et al. 2015 Prokaryota Wautersiella Falsenii Nematicidal activity cow dung XU et al. 2015 Prokaryota Arthrobacter Nicotianae Nematicidal activity cow dung XU et al. 2015 Prokaryota Achromobacter Xylosoxidans Nematicidal activity cow dung XU et al. 2015 Microbacterium Ballot et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Streptomyces Griseus TSA media SPME/GC-MS no Prokaryota Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes Prokaryota Pseudomonas Syringae LB medium GC/MS yes Prokaryota Alcaligenes Faecalis LB medium SPME-GC/MS no Prokaryota Bacillus Cereus LB medium SPME-GC/MS no Prokaryota Brevibacterium Epidermidis LB medium SPME-GC/MS no Prokaryota Proteus Penneri LB medium SPME-GC/MS no Prokaryota Proteus Vulgaris LB medium SPME-GC/MS no Prokaryota Providencia Rettgeri LB medium SPME-GC/MS no Prokaryota Pseudochrobactrum Asaccharolyticum LB medium SPME-GC/MS no Prokaryota Thermomonospora Fusca Nutrient agar CM3 GC/MS no Prokaryota Streptomyces Griseus Nutrient agar CM3 GC/MS no Prokaryota Streptomyces Sp. Nutrient agar CM3 + 50mg/l actidione GC/MS no Prokaryota Brevibacterium Linens n/a n/a no Prokaryota Lactococcus Lactis n/a n/a no Prokaryota Streptomyces Griseus n/a n/a no Prokaryota Thermomonospora Fusca n/a n/a no Prokaryota Streptomyces Albidoflavus n/a n/a no Prokaryota Pseudochrobactrum Saccharolyticum LB liquid SPME-GC/MS no Prokaryota Proteus Hauseri LB liquid SPME-GC/MS no Prokaryota Wautersiella Falsenii LB liquid SPME-GC/MS no Prokaryota Arthrobacter Nicotianae LB liquid SPME-GC/MS no Prokaryota Achromobacter Xylosoxidans LB liquid SPME-GC/MS no Microbacterium tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany) GC-QQQ-MS no